CID 5364722

2,6-nonadien-1-ol, 3,7-dimethyl-

Structural Information

Molecular Formula
C11H20O
SMILES
CC/C(=C/CC/C(=C/CO)/C)/C
InChI
InChI=1S/C11H20O/c1-4-10(2)6-5-7-11(3)8-9-12/h6,8,12H,4-5,7,9H2,1-3H3/b10-6+,11-8+
InChIKey
ZEUWCZMRCKECEG-NSJFVGFPSA-N
Compound name
(2E,6E)-3,7-dimethylnona-2,6-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

168.15141 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.15869 143.6
[M+Na]+ 191.14063 148.7
[M-H]- 167.14413 141.9
[M+NH4]+ 186.18523 163.7
[M+K]+ 207.11457 146.4
[M+H-H2O]+ 151.14867 139.0
[M+HCOO]- 213.14961 163.0
[M+CH3COO]- 227.16526 180.1
[M+Na-2H]- 189.12608 145.0
[M]+ 168.15086 143.4
[M]- 168.15196 143.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe